N-butyl-3-methyltriazol-4-amine

C7H14N4 — CID 130486140

IUPACN-butyl-3-methyltriazol-4-amine
SMILESCCCCNc1cnnn1C
InChIInChI=1S/C7H14N4/c1-3-4-5-8-7-6-9-10-11(7)2/h6,8H,3-5H2,1-2H3
InChIKeyXUZCCKNFDNTASQ-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.03
Rot. Bonds4

About N-butyl-3-methyltriazol-4-amine

N-butyl-3-methyltriazol-4-amine (PubChem CID 130486140) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-butyl-3-methyltriazol-4-amine.

Molecular Properties

Compound NameN-butyl-3-methyltriazol-4-amine
PubChem CID130486140
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-butyl-3-methyltriazol-4-amine
SMILESCCCCNc1cnnn1C
InChIInChI=1S/C7H14N4/c1-3-4-5-8-7-6-9-10-11(7)2/h6,8H,3-5H2,1-2H3
InChIKeyXUZCCKNFDNTASQ-UHFFFAOYSA-N
XLogP1.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyltriazol-4-amine?
The IUPAC name of N-butyl-3-methyltriazol-4-amine (CID 130486140) is N-butyl-3-methyltriazol-4-amine.
What is the SMILES notation for N-butyl-3-methyltriazol-4-amine?
The canonical SMILES for N-butyl-3-methyltriazol-4-amine is CCCCNc1cnnn1C.
What is the InChIKey of N-butyl-3-methyltriazol-4-amine?
The InChIKey is XUZCCKNFDNTASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-4-5-8-7-6-9-10-11(7)2/h6,8H,3-5H2,1-2H3.
What are the key properties of N-butyl-3-methyltriazol-4-amine?
N-butyl-3-methyltriazol-4-amine has a molecular weight of 154.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyltriazol-4-amine is sourced from PubChem (CID 130486140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).